Results 121 to 130 of about 259,778 (317)
Physical properties of ternary chloro-perovskites KTCl3 (T = Ge, Al) for optoelectronic applications
Open PhysicsThis study uses density functional theory to investigate various properties of ternary chloro-perovskites, KTCl3 (T = Ge or Al). Both compounds have a cubic structure with lattice parameters of 5.159 Å for KAlCl3 and 5.378 Å for KGeCl3.
Tahir Muhammad +10 more
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The study of optical and colossal dielectric properties of (Cu, Ga)-doped ZnO nanoparticles
Engineering and Applied Science Research, 2021 In this work, we have studied optical and dielectric properties of (Ga, Cu)-doped ZnO nanoparticles in both theoretical and experimental aspects. In an experimental approach, we have synthesized ZnO, Ga-doped ZnO, Cu-doped ZnO, and (Ga, Cu)-codoped ZnO ...
Theeranuch Nachaithong +5 more
doaj
Investigate the electrical and thermoelectric properties of M@C60 where (M=Co, Ni): A DFT study [PDF]
مجلة جامعة الانبار للعلوم الصرفةDensity functional theory combined with nonequivalent greens function was carried out to study the M@C60 single-molecule junctions between two gold electrodes, where M=Co and Ni.
Anhar alfahdawi, Alaa Al-Jobory
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Advanced Functional Materials, EarlyView.Ferroelectric nanoclusters create local internal fields in a normally non‐switchable polar film because of polarization mismatch at their interfaces. That field opposes polarization in the regions with larger polarization and reinforces polarization in the regions with smaller polarization.
Anna N. Morozovska +5 more
wiley +1 more source
High Performance Durable Vanadium Dioxide Spectral Selective Modulation Smart Windows
Advanced Functional Materials, EarlyView.Crystallinity‐enhanced VO2 nanoparticles with a self‐limited amorphous oxidation shell achieve an order of magnitude durability improvement and high spectral selective modulation performance (luminous transmittance of 28.5%, solar modulation of 10.5%, and mid‐infrared emissivity modulation of 0.5) for smart windows.
Bin Li +7 more
wiley +1 more source
A Bioinspired Sensory‐CAPode With Dual Functionality: Logic Gate and Real‐Time Biosensing
Advanced Functional Materials, EarlyView.An electrochemical capacitor diode (CAPode) redefines the frontier of iontronics by seamlessly unifying logic computing and biosensing within a single biocompatible platform. Inspired by nature's own ion‐channel circuitry, this elegant ionic system transforms complex chemical signals into precise electrical responses, paving the way for next‐generation
Hanfeng Zhou +10 more
wiley +1 more source
Cogent Engineering, 2018 Various experimental and theoretical methods have been employed to study the effectiveness of two pyrazoline derivatives namely, 2-(4-(5-(p-tolyl)-4,5-dihydro-1H-pyrazol-3-yl)phenoxy)acetic acid (P1) and 2-(4-(5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-3 ...
Hassane Lgaz +5 more
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Advanced Functional Materials, EarlyView.This work presents manipulation of adjacent carbon site in single‐atom indium catalysts via editing In‐N4 motif to In‐N2O2 for reaction pathway switching. Incorporation of O atoms leads to significant electron enrichment on the adjacent carbon sites surrounding the In‐N2O2 motif, which facilitates *COOH adsorption and CO formation with high selectivity.
Wenjing Zhao +9 more
wiley +1 more source
Materials docents DFT II. Curs 2023-2024 [PDF]
, 2023 Material docent utilitzat per a l'explicació de l'assignatura Dret Financer i Tributari II.
Sevilla Bernabéu, Benjamín
core
Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study
Beilstein Journal of NanotechnologyHigh mechanical strength, excellent thermal and electrical conductivity, and tunable properties make two-dimensional (2D) materials attractive for various applications.
Kamal Kumar +3 more
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